2-N-ethyl-2-N-[(2-methyltetrazol-5-yl)methyl]benzene-1,2-diamine

C11H16N6 — CID 107043699

IUPAC2-N-ethyl-2-N-[(2-methyltetrazol-5-yl)methyl]benzene-1,2-diamine
SMILESCCN(Cc1nnn(C)n1)c1ccccc1N
InChIInChI=1S/C11H16N6/c1-3-17(8-11-13-15-16(2)14-11)10-7-5-4-6-9(10)12/h4-7H,3,8,12H2,1-2H3
InChIKeyVQOAXRVZLXOGKB-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.82
Rot. Bonds4

About 2-N-ethyl-2-N-[(2-methyltetrazol-5-yl)methyl]benzene-1,2-diamine

2-N-ethyl-2-N-[(2-methyltetrazol-5-yl)methyl]benzene-1,2-diamine (PubChem CID 107043699) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-N-ethyl-2-N-[(2-methyltetrazol-5-yl)methyl]benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-[(2-methyltetrazol-5-yl)methyl]benzene-1,2-diamine
PubChem CID107043699
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name2-N-ethyl-2-N-[(2-methyltetrazol-5-yl)methyl]benzene-1,2-diamine
SMILESCCN(Cc1nnn(C)n1)c1ccccc1N
InChIInChI=1S/C11H16N6/c1-3-17(8-11-13-15-16(2)14-11)10-7-5-4-6-9(10)12/h4-7H,3,8,12H2,1-2H3
InChIKeyVQOAXRVZLXOGKB-UHFFFAOYSA-N
XLogP0.82
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-[ethyl-[(2-methyltetrazol-5-yl)methyl]amino]benzoic acid
CID 107043710
2-[[methyl-[(2-methyltetrazol-5-yl)methyl]amino]methyl]aniline
CID 107043648
4-N-[(2-methyltetrazol-5-yl)methyl]-4-N-propylbenzene-1,4-diamine
CID 107043717
2-N-ethyl-2-N-(pyridin-4-ylmethyl)benzene-1,2-diamine
CID 54948094
1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107047811
2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61437146
2-N-ethyl-2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine
CID 112650618
1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107047088
2-N-methyl-2-N-[(2-methyltetrazol-5-yl)methyl]propane-1,2-diamine
CID 107054322
4-[[(2-methyltetrazol-5-yl)methyl-propylamino]methyl]aniline
CID 107043654
2-N-[(3-bromothiophen-2-yl)methyl]-2-N-ethylbenzene-1,2-diamine
CID 62100839
4-[(2-amino-N-ethylanilino)methyl]-3-chlorobenzamide
CID 102668628

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-[(2-methyltetrazol-5-yl)methyl]benzene-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-[(2-methyltetrazol-5-yl)methyl]benzene-1,2-diamine (CID 107043699) is 2-N-ethyl-2-N-[(2-methyltetrazol-5-yl)methyl]benzene-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-[(2-methyltetrazol-5-yl)methyl]benzene-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-[(2-methyltetrazol-5-yl)methyl]benzene-1,2-diamine is CCN(Cc1nnn(C)n1)c1ccccc1N.
What is the InChIKey of 2-N-ethyl-2-N-[(2-methyltetrazol-5-yl)methyl]benzene-1,2-diamine?
The InChIKey is VQOAXRVZLXOGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-3-17(8-11-13-15-16(2)14-11)10-7-5-4-6-9(10)12/h4-7H,3,8,12H2,1-2H3.
What are the key properties of 2-N-ethyl-2-N-[(2-methyltetrazol-5-yl)methyl]benzene-1,2-diamine?
2-N-ethyl-2-N-[(2-methyltetrazol-5-yl)methyl]benzene-1,2-diamine has a molecular weight of 232.29 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-[(2-methyltetrazol-5-yl)methyl]benzene-1,2-diamine is sourced from PubChem (CID 107043699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).